[2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone

C17H20N6O2 — CID 70817725

IUPAC[2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone
SMILESCOCC(C)(C)n1cc(C(=O)c2cncc(N)c2)c2cnc(N)nc21
InChIInChI=1S/C17H20N6O2/c1-17(2,9-25-3)23-8-13(12-7-21-16(19)22-15(12)23)14(24)10-4-11(18)6-20-5-10/h4-8H,9,18H2,1-3H3,(H2,19,21,22)
InChIKeyPFDPFCTZHRJZOY-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.60
Rot. Bonds5

About [2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone

[2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone (PubChem CID 70817725) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone
PubChem CID70817725
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone
SMILESCOCC(C)(C)n1cc(C(=O)c2cncc(N)c2)c2cnc(N)nc21
InChIInChI=1S/C17H20N6O2/c1-17(2,9-25-3)23-8-13(12-7-21-16(19)22-15(12)23)14(24)10-4-11(18)6-20-5-10/h4-8H,9,18H2,1-3H3,(H2,19,21,22)
InChIKeyPFDPFCTZHRJZOY-UHFFFAOYSA-N
XLogP1.60
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Pf-06273340
CID 66571548
[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[(3s,4r)-4-(4-Fluorophenyl)tetrahydrofuran-3-Yl]amino}pyrazin-2-Yl)methanone
CID 45139233
N-{5-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}-2-(4-Chlorophenyl)acetamide
CID 124219454
N-{4-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-2-Yl}-N'-(2,4-Difluorophenyl)urea
CID 68904737
2-(4-Cyanophenyl)-N-{5-[7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}acetamide
CID 70847539
N-[5-(2-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 90683761
[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-5-Yl](6-{[2-(Pyridin-3-Yl)ethyl]amino}pyrazin-2-Yl)methanone
CID 53488414
1-[1-(Imidazo[1,2-A]pyridin-5-Yl)-7-(Morpholin-4-Yl)indolizin-3-Yl]ethanone
CID 127038798
N-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-3-carboxamide
CID 9858007
N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 66571443
N-[5-(2-Amino-7-bicyclo[1.1.1]pent-1-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-pyridin-3-yl]-2-(5-fluoro-pyridin-2-yl)-acetamide
CID 70817744
DprE1-IN-2
CID 90467014

Frequently Asked Questions

What is the IUPAC name of [2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone?
The IUPAC name of [2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone (CID 70817725) is [2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone.
What is the SMILES notation for [2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone?
The canonical SMILES for [2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone is COCC(C)(C)n1cc(C(=O)c2cncc(N)c2)c2cnc(N)nc21.
What is the InChIKey of [2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone?
The InChIKey is PFDPFCTZHRJZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-17(2,9-25-3)23-8-13(12-7-21-16(19)22-15(12)23)14(24)10-4-11(18)6-20-5-10/h4-8H,9,18H2,1-3H3,(H2,19,21,22).
What are the key properties of [2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone?
[2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone has a molecular weight of 340.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-7-(1-methoxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-(5-amino-3-pyridinyl)methanone is sourced from PubChem (CID 70817725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).